Information card for entry 7156805

Structure parameters

• Formula: C47 H54 N O11
• Calculated formula: C47 H54 N O11
• Title of publication: Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.
• Authors of publication: Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 4975 - 4978
• a: 12.1968 ± 0.0002 Å
• b: 31.9446 ± 0.0004 Å
• c: 12.4129 ± 0.0002 Å
• α: 90°
• β: 119.137 ± 0.002°
• γ: 90°
• Cell volume: 4224.34 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No